SCHEMBL4145455

SCHEMBL4145455

CCCNC(=O)NC.COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
APP P05067 1/20 0.32
CHEK1 O14757 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
KDR P35968 1/20 0.31
TRPA1 O75762 1/20 0.31
AURKA O14965 2/20 0.30
AURKB Q96GD4 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4141208 0.95 DRD2 (0.36) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL4145979 0.93 MAPK1 (0.35) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL4150248 0.91 POLB (0.35) DRD2DRD4DRD3POLBMAPK1
SCHEMBL4137384 0.87 NFE2L2 (0.38) ALDH1A1SMN1; SMN2CHEK1KDRTRPA1
SCHEMBL4137389 0.87 NFE2L2 (0.38) ALDH1A1SMN1; SMN2CHEK1KDRTRPA1
SCHEMBL4148215 0.86 POLB (0.35) DRD2DRD4DRD3POLBSMN1; SMN2
SCHEMBL4153616 0.85 MAOA (0.38) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL4139706 0.84 CCR3 (0.36) DRD2DRD4DRD3
SCHEMBL4144223 0.84 MAOA (0.35) DRD2DRD4DRD3POLBSMN1; SMN2
SCHEMBL4145452 0.83 KCNA3 (0.40) KCNA3DRD2DRD4DRD3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KCNA3 1044/4885DRD2 1343/4885DRD4 2231/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KCNA3 1086/4885DRD2 1517/4885DRD4 2433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.